Information card for entry 4110576

Structure parameters

• Common name: [Ag4(bppn)4][BF4]4 . 3CH3NO2 . C6H6
• Formula: C65 H55 Ag4 B4 F16 N19 O6
• Calculated formula: C65 H55 Ag4 B4 F16 N19 O6
• SMILES: [Ag]123[n]4ccccc4c4[n]1[n]1[Ag]5([n]6c(c1cc4)cccc6)[n]1ccccc1c1[n]5[n]4[Ag]5([n]6c(c4cc1)cccc6)[n]1ccccc1c1[n]5[n]4[Ag]5([n]6c(c4cc1)cccc6)[n]1ccccc1c1[n]5[n]2c(cc1)c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=N(=O)C.O=N(=O)C.O=N(=O)C.c1ccccc1
• Title of publication: Anion-π Interactions as Controlling Elements in Self-Assembly Reactions of Ag(I) Complexes with π-Acidic Aromatic Rings
• Authors of publication: Brandi L. Schottel; Helen T. Chifotides; Mikhail Shatruk; Abdellatif Chouai; Lisa M. Pérez; John Bacsa; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 5895 - 5912
• a: 15.655 ± 0.007 Å
• b: 28.374 ± 0.013 Å
• c: 16.335 ± 0.01 Å
• α: 90°
• β: 94.79 ± 0.03°
• γ: 90°
• Cell volume: 7231 ± 6 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No